2-azanyl-3-[2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-(2-azanylpropanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-(2-azanylpropanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(2-aminopropanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-(2-amino-1-oxopropyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(2-aminopropanoyl)phenyl]propanoic acid Traditional Name: 3-[3-alanyl-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]phenyl]-2-amino-propionic acid Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C(=CC=C1)CC(C(=O)O)N)C(=O)C(CC2=CN=CN2)N)N

Isomeric SMILES

CC(C(=O)C1=C(C(=CC=C1)CC(C(=O)O)N)C(=O)C(CC2=CN=CN2)N)N

InChI

InChI=1S/C18H23N5O4/c1-9(19)16(24)12-4-2-3-10(5-14(21)18(26)27)15(12)17(25)13(20)6-11-7-22-8-23-11/h2-4,7-9,13-14H,5-6,19-21H2,1H3,(H,22,23)(H,26,27)